(3Z,7Z,11Z)-3,4,11,12-tetrafluoro-14,17-dimethyl-5,6,9,10,13-pentamethylidene-2-[(Z)-prop-1-enoxy]octadeca-1,3,7,11-tetraene

C28H34F4O — CID 143772369

IUPAC(3Z,7Z,11Z)-3,4,11,12-tetrafluoro-14,17-dimethyl-5,6,9,10,13-pentamethylidene-2-[(Z)-prop-1-enoxy]octadeca-1,3,7,11-tetraene
SMILESC=C(/C=C\C(=C)C(=C)/C(F)=C(\F)C(=C)C(C)CCC(C)C)C(=C)/C(F)=C(\F)C(=C)O/C=C\C
InChIInChI=1S/C28H34F4O/c1-11-16-33-24(10)28(32)27(31)23(9)20(6)15-14-19(5)22(8)26(30)25(29)21(7)18(4)13-12-17(2)3/h11,14-18H,5-10,12-13H2,1-4H3/b15-14-,16-11-,26-25-,28-27-
InChIKeyQJVUNARKXQVZCF-TVZZTGEESA-N
MW462.57 g/mol
LogP9.76
Rot. Bonds14

About (3Z,7Z,11Z)-3,4,11,12-tetrafluoro-14,17-dimethyl-5,6,9,10,13-pentamethylidene-2-[(Z)-prop-1-enoxy]octadeca-1,3,7,11-tetraene

(3Z,7Z,11Z)-3,4,11,12-tetrafluoro-14,17-dimethyl-5,6,9,10,13-pentamethylidene-2-[(Z)-prop-1-enoxy]octadeca-1,3,7,11-tetraene (PubChem CID 143772369) has the molecular formula C28H34F4O and a molecular weight of 462.57 g/mol. Its IUPAC name is (3Z,7Z,11Z)-3,4,11,12-tetrafluoro-14,17-dimethyl-5,6,9,10,13-pentamethylidene-2-[(Z)-prop-1-enoxy]octadeca-1,3,7,11-tetraene.

Molecular Properties

Compound Name(3Z,7Z,11Z)-3,4,11,12-tetrafluoro-14,17-dimethyl-5,6,9,10,13-pentamethylidene-2-[(Z)-prop-1-enoxy]octadeca-1,3,7,11-tetraene
PubChem CID143772369
Molecular FormulaC28H34F4O
Molecular Weight462.57 g/mol
Exact Mass462.25
IUPAC Name(3Z,7Z,11Z)-3,4,11,12-tetrafluoro-14,17-dimethyl-5,6,9,10,13-pentamethylidene-2-[(Z)-prop-1-enoxy]octadeca-1,3,7,11-tetraene
SMILESC=C(/C=C\C(=C)C(=C)/C(F)=C(\F)C(=C)C(C)CCC(C)C)C(=C)/C(F)=C(\F)C(=C)O/C=C\C
InChIInChI=1S/C28H34F4O/c1-11-16-33-24(10)28(32)27(31)23(9)20(6)15-14-19(5)22(8)26(30)25(29)21(7)18(4)13-12-17(2)3/h11,14-18H,5-10,12-13H2,1-4H3/b15-14-,16-11-,26-25-,28-27-
InChIKeyQJVUNARKXQVZCF-TVZZTGEESA-N
XLogP9.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.57
LogP ≤ 59.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3Z,7Z,11Z)-3,4,11,12-tetrafluoro-14,17-dimethyl-5,6,9,10,13-pentamethylidene-2-[(Z)-prop-1-enoxy]octadeca-1,3,7,11-tetraene with MolForge

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Related Compounds

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(3Z,5Z)-2-(difluoromethoxy)-5-ethylidene-7-methylnona-1,3-diene
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CID 88953178
(3E,11Z,15Z)-4,11,12-trifluoro-2-methoxy-6,9-dimethyl-5,10,13,14,17-pentamethylidenenonadeca-1,3,11,15-tetraene
CID 88953273
3-[4-[(4Z,6Z)-6-(4-ethenylcyclohexa-2,4-dien-1-yl)-4,5-difluoronona-4,6,8-trienyl]cyclohexen-1-yl]-1,2-difluoro-6-methoxycyclohexa-1,3-diene
CID 88953411
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CID 89259496
(5S)-3-[(2S,3E)-5-[(1R,4R)-4-[(3Z,5S)-5-ethylocta-1,3-dien-2-yl]-2-fluorocyclohex-2-en-1-yl]-1,1,3-trifluoro-2-(1-fluoroethyl)hexa-3,5-dienoxy]-1,5-difluoro-6-(trifluoromethyl)cyclohexa-1,3-diene
CID 90392783
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CID 91198045
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CID 91288012
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CID 91552862

Frequently Asked Questions

What is the IUPAC name of (3Z,7Z,11Z)-3,4,11,12-tetrafluoro-14,17-dimethyl-5,6,9,10,13-pentamethylidene-2-[(Z)-prop-1-enoxy]octadeca-1,3,7,11-tetraene?
The IUPAC name of (3Z,7Z,11Z)-3,4,11,12-tetrafluoro-14,17-dimethyl-5,6,9,10,13-pentamethylidene-2-[(Z)-prop-1-enoxy]octadeca-1,3,7,11-tetraene (CID 143772369) is (3Z,7Z,11Z)-3,4,11,12-tetrafluoro-14,17-dimethyl-5,6,9,10,13-pentamethylidene-2-[(Z)-prop-1-enoxy]octadeca-1,3,7,11-tetraene.
What is the SMILES notation for (3Z,7Z,11Z)-3,4,11,12-tetrafluoro-14,17-dimethyl-5,6,9,10,13-pentamethylidene-2-[(Z)-prop-1-enoxy]octadeca-1,3,7,11-tetraene?
The canonical SMILES for (3Z,7Z,11Z)-3,4,11,12-tetrafluoro-14,17-dimethyl-5,6,9,10,13-pentamethylidene-2-[(Z)-prop-1-enoxy]octadeca-1,3,7,11-tetraene is C=C(/C=C\C(=C)C(=C)/C(F)=C(\F)C(=C)C(C)CCC(C)C)C(=C)/C(F)=C(\F)C(=C)O/C=C\C.
What is the InChIKey of (3Z,7Z,11Z)-3,4,11,12-tetrafluoro-14,17-dimethyl-5,6,9,10,13-pentamethylidene-2-[(Z)-prop-1-enoxy]octadeca-1,3,7,11-tetraene?
The InChIKey is QJVUNARKXQVZCF-TVZZTGEESA-N. The full InChI is InChI=1S/C28H34F4O/c1-11-16-33-24(10)28(32)27(31)23(9)20(6)15-14-19(5)22(8)26(30)25(29)21(7)18(4)13-12-17(2)3/h11,14-18H,5-10,12-13H2,1-4H3/b15-14-,16-11-,26-25-,28-27-.
What are the key properties of (3Z,7Z,11Z)-3,4,11,12-tetrafluoro-14,17-dimethyl-5,6,9,10,13-pentamethylidene-2-[(Z)-prop-1-enoxy]octadeca-1,3,7,11-tetraene?
(3Z,7Z,11Z)-3,4,11,12-tetrafluoro-14,17-dimethyl-5,6,9,10,13-pentamethylidene-2-[(Z)-prop-1-enoxy]octadeca-1,3,7,11-tetraene has a molecular weight of 462.57 g/mol, XLogP of 9.76, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7Z,11Z)-3,4,11,12-tetrafluoro-14,17-dimethyl-5,6,9,10,13-pentamethylidene-2-[(Z)-prop-1-enoxy]octadeca-1,3,7,11-tetraene is sourced from PubChem (CID 143772369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).